[Wien] how to obtain the spin up and spin down valence electron number of the atom for different l-schell
Yang, Jinbo
jinbo at umr.edu
Wed Jun 23 18:12:41 CEST 2004
Dear Weien2k users
After the SCF cycle, can I obtain the numbers of the spin up and spin down electron of the different l-shell for each atom? Would someone tell me how I can do it? Any suggestion is highly appreciated.
Thank you so much
Jinbo Yang
Materials Research Center
University of Missouri-Rolla
Rolla, MO 65401
USA
Phone: +01-573341-6165
Fax: +01-573-341-2071
E-mail: jinbo at umr.edu
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